chemicaljson enhancements #1321
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- Add support for reading / writing arbitrary properties .. should include arrays and matrices - Support for open shell orbital energies (alphaEnergies / beta) - Support for open shell occupations (alphaOccupations / beta) Signed-off-by: Geoff Hutchison <[email protected]>
Signed-off-by: Geoff Hutchison <[email protected]>
Signed-off-by: Geoff Hutchison <[email protected]>
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Signed-off-by: Geoff Hutchison <[email protected]>
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